Molecule

ID:29301

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₉NO₂
Molecular Mass
397.59336
Exact Mass
397.29807949
Charge
0
InChI
InChI=1S/C26H39NO2/c1-19(2)18-29-22-12-10-21(11-13-22)27-15-16-28-24-14-9-20(25(3,4)5)17-23(24)26(6,7)8/h9-14,17,19,27H,15-16,18H2,1-8H3
InChIKey
LGNVRVRBFBHFKN-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccc(cc1)NCCOc1ccc(cc1C(C)(C)C)C(C)(C)C)C
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCCNc1ccc(OCC(C)C)cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.097199
LogD (pH = 7.4)
7.26421
Log P
7.266818
Molar Refractivity
124.3432
Polarizability
48.08657
Polar Surface Area
30.49
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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